| Chain sequence(s) |
A: SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFAAAVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH
B: SMAQVQLVESGGGLVQAGGSLRLSCAASGPTGAMAWFRQAPGKEREFVGGISRSGTDTYYVDSVKGRFTIDRDNAKNTVYLQMNSLKPEDTAVYYCAARRSQILFTSRTDYEFWGQGTQVTVSGLEVLF input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:31)
[INFO] Main: Simulation completed successfully. (00:04:34)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 2 | S | A | -1.9504 | |
| 3 | K | A | -2.5840 | |
| 4 | G | A | 0.0000 | |
| 5 | E | A | -2.1736 | |
| 6 | E | A | -2.6451 | |
| 7 | L | A | -1.1582 | |
| 8 | F | A | 0.0000 | |
| 9 | T | A | -0.3132 | |
| 10 | G | A | 0.4753 | |
| 11 | V | A | 1.3574 | |
| 12 | V | A | 0.0000 | |
| 13 | P | A | -0.9376 | |
| 14 | I | A | 0.0000 | |
| 15 | L | A | -1.1910 | |
| 16 | V | A | 0.0000 | |
| 17 | E | A | -1.8722 | |
| 18 | L | A | 0.0000 | |
| 19 | D | A | -3.1667 | |
| 20 | G | A | 0.0000 | |
| 21 | D | A | -2.4588 | |
| 22 | V | A | 0.0000 | |
| 23 | N | A | -1.9814 | |
| 24 | G | A | -1.4922 | |
| 25 | H | A | -2.1139 | |
| 26 | K | A | -2.8688 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.6864 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.0437 | |
| 31 | G | A | 0.0000 | |
| 32 | E | A | -2.3224 | |
| 33 | G | A | -1.7100 | |
| 34 | E | A | -1.4231 | |
| 35 | G | A | 0.0000 | |
| 36 | D | A | 0.2219 | |
| 37 | A | A | 0.0000 | |
| 38 | T | A | 0.2491 | |
| 39 | Y | A | 0.9837 | |
| 40 | G | A | 0.0000 | |
| 41 | K | A | -0.2485 | |
| 42 | L | A | 0.0000 | |
| 43 | T | A | -0.7684 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -1.4571 | |
| 46 | F | A | 0.0000 | |
| 47 | I | A | -1.1448 | |
| 48 | C | A | 0.0000 | |
| 49 | T | A | -0.8087 | |
| 50 | T | A | -1.1686 | |
| 51 | G | A | -1.7102 | |
| 52 | K | A | -2.3264 | |
| 53 | L | A | 0.0000 | |
| 54 | P | A | -1.2131 | |
| 55 | V | A | 0.0000 | |
| 56 | P | A | -0.4290 | |
| 57 | W | A | 0.0000 | |
| 58 | P | A | 0.0000 | |
| 59 | T | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | T | A | -0.0025 | |
| 63 | T | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 68 | V | A | -0.0212 | |
| 69 | Q | A | -0.1937 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | A | A | 0.0000 | |
| 73 | R | A | -1.2226 | |
| 74 | Y | A | 0.0000 | |
| 75 | P | A | -1.6035 | |
| 76 | D | A | -2.6320 | |
| 77 | H | A | -1.8110 | |
| 78 | M | A | 0.0000 | |
| 79 | K | A | -2.2026 | |
| 80 | Q | A | -1.9439 | |
| 81 | H | A | -1.3726 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | S | A | -1.0078 | |
| 87 | A | A | 0.0000 | |
| 88 | M | A | 0.0000 | |
| 89 | P | A | -1.5886 | |
| 90 | E | A | -2.2635 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | 0.0000 | |
| 93 | V | A | -0.4863 | |
| 94 | Q | A | 0.0000 | |
| 95 | E | A | -2.4533 | |
| 96 | R | A | 0.0000 | |
| 97 | T | A | -1.2013 | |
| 98 | I | A | 0.0000 | |
| 99 | F | A | -0.6470 | |
| 100 | F | A | 0.0000 | |
| 101 | K | A | -2.2080 | |
| 102 | D | A | -3.0182 | |
| 103 | D | A | -2.6189 | |
| 104 | G | A | 0.0000 | |
| 105 | N | A | -1.2591 | |
| 106 | Y | A | 0.0000 | |
| 107 | K | A | -2.5719 | |
| 108 | T | A | 0.0000 | |
| 109 | R | A | -2.8119 | |
| 110 | A | A | 0.0000 | |
| 111 | E | A | -1.6398 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.5605 | |
| 114 | F | A | -1.4705 | |
| 115 | E | A | -1.6402 | |
| 116 | G | A | -1.6986 | |
| 117 | D | A | -2.1863 | |
| 118 | T | A | -1.6209 | |
| 119 | L | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | R | A | -2.2132 | |
| 123 | I | A | 0.0000 | |
| 124 | E | A | -3.5900 | |
| 125 | L | A | 0.0000 | |
| 126 | K | A | -2.5808 | |
| 127 | G | A | 0.0000 | |
| 128 | I | A | -1.3838 | |
| 129 | D | A | -2.5580 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -3.9407 | |
| 132 | E | A | -3.9433 | |
| 133 | D | A | -3.5178 | |
| 134 | G | A | 0.0000 | |
| 135 | N | A | -2.2521 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.9121 | |
| 138 | G | A | -2.1851 | |
| 139 | H | A | -2.0012 | |
| 140 | K | A | -2.4028 | |
| 141 | L | A | -1.6449 | |
| 142 | E | A | -1.8811 | |
| 143 | Y | A | -0.7173 | |
| 144 | N | A | -0.6088 | |
| 145 | Y | A | -0.8413 | |
| 146 | N | A | -1.3018 | |
| 147 | S | A | -1.1400 | |
| 148 | H | A | 0.0000 | |
| 149 | N | A | -0.8937 | |
| 150 | V | A | 0.0000 | |
| 151 | Y | A | -0.0483 | |
| 152 | I | A | 0.0000 | |
| 153 | M | A | 0.0000 | |
| 154 | A | A | -1.3677 | |
| 155 | D | A | 0.0000 | |
| 156 | K | A | -2.6658 | |
| 157 | Q | A | -2.7404 | |
| 158 | K | A | -2.1688 | |
| 159 | N | A | -2.0802 | |
| 160 | G | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | K | A | -0.6985 | |
| 167 | I | A | 0.0000 | |
| 168 | R | A | -0.8090 | |
| 169 | H | A | 0.0000 | |
| 170 | N | A | -1.2485 | |
| 171 | I | A | 0.0000 | |
| 172 | E | A | -3.3009 | |
| 173 | D | A | -3.0319 | |
| 174 | G | A | -1.8782 | |
| 175 | S | A | -0.8887 | |
| 176 | V | A | -0.0740 | |
| 177 | H | A | 0.0000 | |
| 178 | L | A | -0.5476 | |
| 179 | A | A | 0.0000 | |
| 180 | D | A | -0.5840 | |
| 181 | H | A | 0.0000 | |
| 182 | Y | A | 0.0000 | |
| 183 | Q | A | 0.0000 | |
| 184 | Q | A | -0.8013 | |
| 185 | N | A | 0.0000 | |
| 186 | T | A | -0.3362 | |
| 187 | P | A | -0.6467 | |
| 188 | I | A | -0.2734 | |
| 189 | G | A | -1.4124 | |
| 190 | D | A | -2.2019 | |
| 191 | G | A | -1.4495 | |
| 192 | P | A | -0.7197 | |
| 193 | V | A | -0.2040 | |
| 194 | L | A | 0.0461 | |
| 195 | L | A | -0.5577 | |
| 196 | P | A | 0.0000 | |
| 197 | D | A | -2.0614 | |
| 198 | N | A | -1.1659 | |
| 199 | H | A | 0.0000 | |
| 200 | Y | A | -0.0101 | |
| 201 | L | A | 0.0000 | |
| 202 | S | A | -0.5728 | |
| 203 | T | A | -0.7587 | |
| 204 | Q | A | -1.3155 | |
| 205 | S | A | -0.6157 | |
| 206 | A | A | -0.0880 | |
| 207 | L | A | -0.1233 | |
| 208 | S | A | -0.6880 | |
| 209 | K | A | -1.7310 | |
| 210 | D | A | -2.1331 | |
| 211 | P | A | -1.8063 | |
| 212 | N | A | -2.5142 | |
| 213 | E | A | -2.7121 | |
| 214 | K | A | -3.2177 | |
| 215 | R | A | -3.4368 | |
| 216 | D | A | -2.3669 | |
| 217 | H | A | 0.0000 | |
| 218 | M | A | 0.0000 | |
| 219 | V | A | -0.4265 | |
| 220 | L | A | 0.0000 | |
| 221 | L | A | 0.1223 | |
| 222 | E | A | -0.1884 | |
| 223 | F | A | 0.1702 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -0.4390 | |
| 226 | A | A | 0.0000 | |
| 227 | A | A | -0.0300 | |
| 228 | G | A | 0.2728 | |
| 229 | I | A | -0.0801 | |
| 230 | T | A | -0.2761 | |
| 231 | H | A | -1.1992 | |
| 2 | S | B | -0.2890 | |
| 3 | M | B | -0.6447 | |
| 4 | A | B | -0.7459 | |
| 5 | Q | B | -1.7671 | |
| 6 | V | B | -1.2071 | |
| 7 | Q | B | -1.1172 | |
| 8 | L | B | 0.0000 | |
| 9 | V | B | 1.1217 | |
| 10 | E | B | 0.0000 | |
| 11 | S | B | 0.1470 | |
| 12 | G | B | 0.0000 | |
| 13 | G | B | 0.0000 | |
| 14 | G | B | 0.0000 | |
| 15 | L | B | 0.0000 | |
| 16 | V | B | 0.0000 | |
| 17 | Q | B | -0.9354 | |
| 18 | A | B | -1.4280 | |
| 19 | G | B | -1.2655 | |
| 20 | G | B | -0.9912 | |
| 21 | S | B | -0.9934 | |
| 22 | L | B | 0.0000 | |
| 23 | R | B | -0.5026 | |
| 24 | L | B | 0.0000 | |
| 25 | S | B | 0.0115 | |
| 26 | C | B | 0.0000 | |
| 27 | A | B | -0.0991 | |
| 28 | A | B | -0.6131 | |
| 29 | S | B | -0.7707 | |
| 30 | G | B | -1.0177 | |
| 31 | P | B | -1.1803 | |
| 32 | T | B | 0.0000 | |
| 33 | G | B | 0.0000 | |
| 34 | A | B | 0.0000 | |
| 35 | M | B | 0.0000 | |
| 36 | A | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | F | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | -1.7221 | |
| 41 | A | B | -1.7319 | |
| 42 | P | B | -1.3256 | |
| 43 | G | B | -1.8858 | |
| 44 | K | B | -3.2225 | |
| 45 | E | B | -3.3777 | |
| 46 | R | B | -2.4906 | |
| 47 | E | B | -2.3663 | |
| 48 | F | B | 0.0000 | |
| 49 | V | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | G | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | R | B | -1.7608 | |
| 55 | S | B | -1.3397 | |
| 56 | G | B | -1.7636 | |
| 57 | T | B | -1.3784 | |
| 58 | D | B | -1.7028 | |
| 59 | T | B | -0.6906 | |
| 60 | Y | B | 0.5209 | |
| 61 | Y | B | -0.2982 | |
| 62 | V | B | -0.9724 | |
| 63 | D | B | -2.2388 | |
| 64 | S | B | -1.5536 | |
| 65 | V | B | 0.0000 | |
| 66 | K | B | -2.4433 | |
| 67 | G | B | -1.8265 | |
| 68 | R | B | -1.4499 | |
| 69 | F | B | 0.0000 | |
| 70 | T | B | -0.8142 | |
| 71 | I | B | 0.0000 | |
| 72 | D | B | -1.6186 | |
| 73 | R | B | -1.7271 | |
| 74 | D | B | -2.0138 | |
| 75 | N | B | -2.2375 | |
| 76 | A | B | -1.5364 | |
| 77 | K | B | -2.3525 | |
| 78 | N | B | -1.7697 | |
| 79 | T | B | -1.1335 | |
| 80 | V | B | 0.0000 | |
| 81 | Y | B | -0.3973 | |
| 82 | L | B | 0.0000 | |
| 83 | Q | B | -0.7314 | |
| 84 | M | B | 0.0000 | |
| 85 | N | B | -1.4025 | |
| 86 | S | B | -1.2298 | |
| 87 | L | B | 0.0000 | |
| 88 | K | B | -2.0517 | |
| 89 | P | B | -1.5743 | |
| 90 | E | B | -2.2329 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | -0.8951 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | 0.0161 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | -0.0924 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | A | B | 0.0000 | |
| 100 | R | B | -1.3076 | |
| 101 | R | B | -1.6628 | |
| 102 | S | B | -0.8259 | |
| 103 | Q | B | -1.0611 | |
| 104 | I | B | 0.6982 | |
| 105 | L | B | 0.7974 | |
| 106 | F | B | 1.4064 | |
| 107 | T | B | 0.4516 | |
| 108 | S | B | -0.6100 | |
| 109 | R | B | -1.5316 | |
| 110 | T | B | -1.0122 | |
| 111 | D | B | -1.0190 | |
| 112 | Y | B | 0.0000 | |
| 113 | E | B | -2.3814 | |
| 114 | F | B | 0.0000 | |
| 115 | W | B | -0.4821 | |
| 116 | G | B | 0.0000 | |
| 117 | Q | B | -1.1471 | |
| 118 | G | B | -0.5083 | |
| 119 | T | B | 0.0000 | |
| 120 | Q | B | -0.4071 | |
| 121 | V | B | 0.0000 | |
| 122 | T | B | -0.6160 | |
| 123 | V | B | 0.0000 | |
| 124 | S | B | 0.0000 | |
| 125 | G | B | -0.5573 | |
| 126 | L | B | 1.1531 | |
| 127 | E | B | -0.2192 | |
| 128 | V | B | 1.7445 | |
| 129 | L | B | 1.5135 | |
| 130 | F | B | 1.9463 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine